N-propyl-3-(7H-purin-6-ylamino)propanamide

C11H16N6O — CID 47299148

IUPACN-propyl-3-(7H-purin-6-ylamino)propanamide
SMILESCCCNC(=O)CCNc1ncnc2nc[nH]c12
InChIInChI=1S/C11H16N6O/c1-2-4-12-8(18)3-5-13-10-9-11(15-6-14-9)17-7-16-10/h6-7H,2-5H2,1H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeyRZEKLEZWYLYYFX-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.68
Rot. Bonds6

About N-propyl-3-(7H-purin-6-ylamino)propanamide

N-propyl-3-(7H-purin-6-ylamino)propanamide (PubChem CID 47299148) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-propyl-3-(7H-purin-6-ylamino)propanamide.

Molecular Properties

Compound NameN-propyl-3-(7H-purin-6-ylamino)propanamide
PubChem CID47299148
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-propyl-3-(7H-purin-6-ylamino)propanamide
SMILESCCCNC(=O)CCNc1ncnc2nc[nH]c12
InChIInChI=1S/C11H16N6O/c1-2-4-12-8(18)3-5-13-10-9-11(15-6-14-9)17-7-16-10/h6-7H,2-5H2,1H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeyRZEKLEZWYLYYFX-UHFFFAOYSA-N
XLogP0.68
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide
CID 113442663
3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 42537147
N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide
CID 42536499
N-butyl-7H-purin-6-amine;ethane
CID 154667457
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
3-(ethylamino)-N-(7H-purin-6-yl)propanamide;dihydrochloride
CID 67008467
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide
CID 42507459
2-(7H-purin-6-ylamino)ethyl carbamate
CID 83205529
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80819686
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 42569285
2-[(7H-purin-6-ylamino)methyl]butanoic acid
CID 65226734

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(7H-purin-6-ylamino)propanamide?
The IUPAC name of N-propyl-3-(7H-purin-6-ylamino)propanamide (CID 47299148) is N-propyl-3-(7H-purin-6-ylamino)propanamide.
What is the SMILES notation for N-propyl-3-(7H-purin-6-ylamino)propanamide?
The canonical SMILES for N-propyl-3-(7H-purin-6-ylamino)propanamide is CCCNC(=O)CCNc1ncnc2nc[nH]c12.
What is the InChIKey of N-propyl-3-(7H-purin-6-ylamino)propanamide?
The InChIKey is RZEKLEZWYLYYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-2-4-12-8(18)3-5-13-10-9-11(15-6-14-9)17-7-16-10/h6-7H,2-5H2,1H3,(H,12,18)(H2,13,14,15,16,17).
What are the key properties of N-propyl-3-(7H-purin-6-ylamino)propanamide?
N-propyl-3-(7H-purin-6-ylamino)propanamide has a molecular weight of 248.29 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(7H-purin-6-ylamino)propanamide is sourced from PubChem (CID 47299148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).